TDR Targets

Basic information

Technical information

TDR Targets ID: 1481165
Name: 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)- N-[(4-methylphenyl)methyl]pentanamide
MW: 371.453 | Formula: C19H21N3O3S
H donors: 2 H acceptors: 3 LogP: 2.46 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccc(cc1)C)CCCCn1c(=O)[nH]c2c(c1=O)scc2
InChi: 1S/C19H21N3O3S/c1-13-5-7-14(8-6-13)12-20-16(23)4-2-3-10-22-18(24)17-15(9-11-26-17)21-19(22)25/h5-9,11H,2-4,10,12H2,1H3,(H,20,23)(H,21,25)
InChiKey: JHTZQBULGUQJKZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

5-(2,4-diketo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylbenzyl)valeramide
ZINC02688211
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-methylbenzyl)pentanamide
MLS000730041
SMR000308318

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adrenoceptor beta 2, surface	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0009	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0009	0.5	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0009	0.5	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0009	0.5	0.5
Leishmania major	oxidoreductase-like protein	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0009	0.5	0.5
Leishmania major	pteridine reductase 1	0.0009	0.5	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0009	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0009	0.5	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0009	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0009	0.5	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0009	0.5	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0009	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0009	0.5	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0009	0.5	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0009	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0009	0.5	0.5
Giardia lamblia	Reductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0009	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0009	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0009	0.5	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Leishmania major	dehydrogenase-like protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0009	0.5	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0009	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0009	0.5	0.5
Echinococcus multilocularis	oxidoreductase	0.0009	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0009	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.5	0.5
Echinococcus granulosus	oxidoreductase	0.0009	0.5	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0009	0.5	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0009	0.5	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0009	0.5	0.5
Brugia malayi	hypothetical protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0009	0.5	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0009	0.5	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0009	0.5	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0009	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0009	0.5	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0009	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Giardia lamblia	Hypothetical protein	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0009	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0009	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.5	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0009	0.5	0.5
Onchocerca volvulus		0.0009	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0009	0.5	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0009	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0009	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0009	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.5	0.5
Brugia malayi	hypothetical protein	0.0009	0.5	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	10.7 uM	PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method from CP1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID492947, AID504448]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1713555

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1481165